1-(1-fluoroethoxy)-2-methylpropane

C6H13FO — CID 123707747

IUPAC1-(1-fluoroethoxy)-2-methylpropane
SMILESCC(C)COC(C)F
InChIInChI=1S/C6H13FO/c1-5(2)4-8-6(3)7/h5-6H,4H2,1-3H3
InChIKeyWXICEZJWCQFOEY-UHFFFAOYSA-N
MW120.17 g/mol
LogP1.97
Rot. Bonds3

About 1-(1-fluoroethoxy)-2-methylpropane

1-(1-fluoroethoxy)-2-methylpropane (PubChem CID 123707747) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is 1-(1-fluoroethoxy)-2-methylpropane.

Molecular Properties

Compound Name1-(1-fluoroethoxy)-2-methylpropane
PubChem CID123707747
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name1-(1-fluoroethoxy)-2-methylpropane
SMILESCC(C)COC(C)F
InChIInChI=1S/C6H13FO/c1-5(2)4-8-6(3)7/h5-6H,4H2,1-3H3
InChIKeyWXICEZJWCQFOEY-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 21616970
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CID 90992962
CID 90992962
CID 12700780
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CID 15062442
CID 15062442
CID 12095509
CID 12095509
CID 13569461
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CID 14625835
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CID 18335870
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CID 18335957
CID 18335957

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethoxy)-2-methylpropane?
The IUPAC name of 1-(1-fluoroethoxy)-2-methylpropane (CID 123707747) is 1-(1-fluoroethoxy)-2-methylpropane.
What is the SMILES notation for 1-(1-fluoroethoxy)-2-methylpropane?
The canonical SMILES for 1-(1-fluoroethoxy)-2-methylpropane is CC(C)COC(C)F.
What is the InChIKey of 1-(1-fluoroethoxy)-2-methylpropane?
The InChIKey is WXICEZJWCQFOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO/c1-5(2)4-8-6(3)7/h5-6H,4H2,1-3H3.
What are the key properties of 1-(1-fluoroethoxy)-2-methylpropane?
1-(1-fluoroethoxy)-2-methylpropane has a molecular weight of 120.17 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethoxy)-2-methylpropane is sourced from PubChem (CID 123707747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).